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Chemical ID: 6001134
Chemical ID:
6001134
Name [?]:
N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-isobutyl-cyclohexanecarboxamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CC(C)C)C(=O)C2CCCCC2)C
InChi [?]:
InChI=1/C18H29N3O2S/c1-12(2)10-21(17(23)15-8-6-5-7-9-15)11-16(22)20-18-19-13(3)14(4)24-18/h12,15H,5-11H2,1-4H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:14,15,1,24,21,20,22,19,23,12,10,13,2,3,18,8,16,5,6,7,11,9,17,4/E:(1,2)(6,7)(8,9)/rA:24nCCCSCNNCOCNCCCCCOCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s13;s11;d16;s16;s18;s19;s20;s21;s18s22;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H29N3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1078 |
Area: | 568.333 |
Solvation: | -4.10048 |
Coulombic: | -41.0807 |
Bond Count [?]
All: | 25 |
Single: | 21 |
Double: | 4 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 351.508 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.55 |
LogP (Chemaxon): | 3.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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